(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(thiophen-2-yl)methanone | 1006613-75-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
• 英文别名: (4-Chloro-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone；(4-chloro-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
• CAS: 1006613-75-7
• 化学式: C₁₀H₉ClN₂OS
• 分子量: 240.713
• InChiKey: KEYAKWLPLZHZDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-噻吩甲酰肼 、 3-氯-2,4-戊二酮 以 neat (no solvent) 为溶剂， 反应 0.17h， 以97%的产率得到(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
  参考文献：
  名称：

  Mixing with microwaves: solvent-free and catalyst-free synthesis of pyrazoles and diazepines

  摘要：

  A simple and facile condensation of hydrazines/hydrazides and diamines with 1,3-diketones/beta-ketoester leads to the preparation of pyrazoles and diazepines in high yields. This eco-friendly protocol is accelerated by microwave heating and efficiently carried out without any reaction solvent or catalyst in as little as 5 min. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2013.01.029

文献信息

• Greener and rapid access to bio-active heterocycles: room temperature synthesis of pyrazoles and diazepines in aqueous medium
  作者：Vivek Polshettiwar、Rajender S. Varma

  DOI：10.1016/j.tetlet.2007.11.017

  日期：2008.1

  An expeditious room temperature synthesis of pyrazoles and diazepines by condensation of hydrazines/hydrazides and diamines with various 1,3-diketones is described. This greener protocol was catalyzed by polystyrene supported sulfonic acid (PSSA) and proceeded efficiently in water in the absence of any organic solvent within 1-2 min. (C) 2007 Elsevier Ltd. All rights reserved.
• Mixing with microwaves: solvent-free and catalyst-free synthesis of pyrazoles and diazepines
  作者：Buchi Reddy Vaddula、Rajender S. Varma、John Leazer

  DOI：10.1016/j.tetlet.2013.01.029

  日期：2013.3

  A simple and facile condensation of hydrazines/hydrazides and diamines with 1,3-diketones/beta-ketoester leads to the preparation of pyrazoles and diazepines in high yields. This eco-friendly protocol is accelerated by microwave heating and efficiently carried out without any reaction solvent or catalyst in as little as 5 min. Published by Elsevier Ltd.